SCHEMBL4461885

SCHEMBL4461885

N#Cc1ccc(N(c2cccnc2)C(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.59
CYP11B2 P19099 3/20 0.47
CYP3A4 P08684 6/20 0.41
KCNA5 P22460 3/20 0.39
CYP11B1 P15538 2/20 0.39
CYP17A1 P05093 1/20 0.38
NPY5R Q15761 1/20 0.38
CYP3A5 P20815 1/20 0.38
CFTR P13569 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GOPC Q9HD26 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA5 P30532 1/20 0.36
CHRNA4 P43681 1/20 0.36
KCNH2 Q12809 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4461908 0.94 CYP19A1 (0.63) CYP19A1CYP11B2CYP3A4KCNA5CYP11B1
SCHEMBL4469599 0.87 CYP19A1 (0.51) CYP19A1CYP11B2CYP3A4KCNA5CYP11B1
SCHEMBL4462079 0.87 CYP19A1 (0.51) CYP19A1CYP11B2CYP3A4KCNA5CYP11B1
SCHEMBL4472869 0.86 CYP19A1 (0.48) CYP19A1CYP11B2CYP3A4KCNA5
SCHEMBL4459003 0.86 CYP19A1 (0.49) CYP19A1CYP11B2KCNA5CYP11B1CYP17A1
SCHEMBL14435411 0.84 CFTR (0.50) CYP19A1CYP3A4KCNA5CYP17A1CFTR
SCHEMBL4460426 0.84 CYP19A1 (0.48) CYP19A1CYP11B2KCNA5NPY5R
SCHEMBL4466454 0.83 CYP19A1 (0.48) CYP19A1CYP11B2CYP3A4KCNA5
SCHEMBL4458259 0.82 CFTR (0.55) CYP19A1KCNA5CFTRSLC6A2SLC6A4
SCHEMBL4461911 0.82 CYP19A1 (0.46) CYP19A1CYP11B2CYP3A4KCNA5SLC6A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US claimed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP claimed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO claimed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090030043-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 CYP19A1 4359/4885CYP11B2 1911/4885CYP3A4 1307/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.